Ligand name: 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE
PDB ligand accession: GTD
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VQUXYLXGOSJDJJ-OSGJSWLFSA-N
SMILES: C1=C(C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P09211

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1AQX	Download	Experimental	e1aqxA2 e1aqxB1 e1aqxA1 e1aqxB2 e1aqxB1 e1aqxA1 e1aqxC2 e1aqxC1 e1aqxD1 e1aqxD2 e1aqxC1 e1aqxD1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot